SCHEMBL8628855

SCHEMBL8628855

Nn1[c]nnc1-c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.46
ALDH1A1 P00352 8/20 0.46
HSD17B10 Q99714 7/20 0.46
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.41
EPHX2 P34913 1/20 0.40
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.38
APLNR P35414 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4036616 0.79 KDM4E (0.49) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3071949 0.75 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL8629568 0.75 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL8630057 0.68 BCHE (0.41) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3990439 0.68 KDM4E (0.46) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL820251 0.63 RPS6KB2 (0.50) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL9788354 0.63 KMT2A (0.55) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL12596380 0.63 KDM4E (0.65) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3545 0.63 L3MBTL1 (0.57) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL16291133 0.63 L3MBTL1 (0.57) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed